SCHEMBL2829802

SCHEMBL2829802

CCn1nc(C(=O)O)c(CC(=O)c2ccccc2)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.39
ESR2 Q92731 1/20 0.39
MEN1 O00255 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 4/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2828338 0.89 SMN1; SMN2 (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2825496 0.88 MAPT (0.38) KMT2AALDH1A1POLBMAPTKDM4E
SCHEMBL2828825 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2829156 0.86 RECQL (0.40) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2828358 0.84 MAPT (0.37) KMT2AALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL2827049 0.84 KMT2A (0.39) KMT2AALDH1A1POLBESR2MEN1
SCHEMBL2831318 0.84 PKM (0.44) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2825646 0.83 ALDH1A1 (0.40) KMT2AALDH1A1POLBMEN1MAPT
SCHEMBL2828005 0.83 PDE4B (0.41) KMT2AALDH1A1MEN1MAPTKDM4E
SCHEMBL2828381 0.83 KMT2A (0.37) KMT2AALDH1A1MEN1MAPTKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP claimed